N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide

C17H17F2N3O2 — CID 113055209

IUPACN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)Cc1ccccn1
InChIInChI=1S/C17H17F2N3O2/c1-12(23)22(11-14-4-2-3-7-20-14)9-8-21-17(24)13-5-6-15(18)16(19)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,24)
InChIKeyIPVBPNHCOVOJMT-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.14
Rot. Bonds6

About N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113055209) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113055209
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)Cc1ccccn1
InChIInChI=1S/C17H17F2N3O2/c1-12(23)22(11-14-4-2-3-7-20-14)9-8-21-17(24)13-5-6-15(18)16(19)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,24)
InChIKeyIPVBPNHCOVOJMT-UHFFFAOYSA-N
XLogP2.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
tert-butyl N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]carbamate
CID 113055221
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]cyclopropanecarboxamide
CID 113055158
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055124
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 113055189
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide (CID 113055209) is N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)Cc1ccccn1.
What is the InChIKey of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is IPVBPNHCOVOJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-12(23)22(11-14-4-2-3-7-20-14)9-8-21-17(24)13-5-6-15(18)16(19)10-13/h2-7,10H,8-9,11H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 333.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113055209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).